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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL54440
CHEMBL54440
Compound Name MEVASTATIN
ChEMBL Synonyms MEVASTATIN
Max Phase 0
Trade Names
Molecular Formula C23H34O5

Additional synonyms for CHEMBL54440 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H ...
Download SMILES
Standard InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19 ...
Download InChI
Standard InChI Key AJLFOPYRIVGYMJ-INTXDZFKSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL54440

Molecule Features

CHEMBL54440 compound icon
Drug Type:Natural Product Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL54440. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL402 HMG-CoA reductase Homo sapiens 1.000
CHEMBL3247 HMG-CoA reductase Rattus norvegicus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.999
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.997
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.988
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.568



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL402 HMG-CoA reductase Homo sapiens 1.000
CHEMBL3247 HMG-CoA reductase Rattus norvegicus 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.985
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.983
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.668

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
390.5 390.2406 3.97 7 72.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.49 - 3.78 3.78 0 28 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL54440. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AJLFOPYRIVGYMJ-INTXDZFKSA-N
PubChem SID: 144205093 SID: 24820212 SID: 26719712 SID: 89850273 SID: 90340823
Wikipedia Mevastatin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL54440



ACToR 58948-09-7 73573-88-3
BindingDB 50011036
ChEBI 34848
DrugBank DB06693
eMolecules 30154569 493515
EPA CompTox Dashboard DTXSID4040684
FDA SRS 1UQM1K0W9X
Guide to Pharmacology 3031
IBM Patent System 4F36477B741A2D5CAB58ADD8996A82AB
KEGG Ligand C13963
LINCS LSM-4123
MolPort MolPort-003-849-214
NIH Clinical Collection SAM001246644
Nikkaji J12.081B
PubChem 64715
PubChem: Drugs of the Future 12015427
PubChem: Thomson Pharma 14756488 14780729
SureChEMBL SCHEMBL1116
ZINC ZINC03833876

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/AJLFOPYRIVGYMJ-INTXDZFKSA-N spacer
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